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2'-O-METHYLADENOSINE-5'-MONOPHOSPHATE-TRIOCTYLAMMONIUM-SALT
SpectraBase Compound ID Dr2rFrfUarw
InChI InChI=1S/C35H65N6O7P/c1-5-8-11-14-17-20-23-41(24-21-18-15-12-9-6-2,25-22-19-16-13-10-7-3)48-49(43,44)46-26-29-31(42)32(45-4)35(47-29)40-28-39-30-33(36)37-27-38-34(30)40/h27-29,31-32,35,42H,5-26H2,1-4H3,(H2-,36,37,38,43,44)/t29-,31-,32-,35-/m0/s1
InChIKey LHMYNZVRUYEGJT-SQIDWUMKSA-N
Mol Weight 712.9 g/mol
Molecular Formula C35H65N6O7P
Exact Mass 712.465235 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89I6EDWJbyQ
Name 2'-O-METHYLADENOSINE-5'-MONOPHOSPHATE-TRIOCTYLAMMONIUM-SALT
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H65N6O7P
InChI InChI=1S/C35H65N6O7P/c1-5-8-11-14-17-20-23-41(24-21-18-15-12-9-6-2,25-22-19-16-13-10-7-3)48-49(43,44)46-26-29-31(42)32(45-4)35(47-29)40-28-39-30-33(36)37-27-38-34(30)40/h27-29,31-32,35,42H,5-26H2,1-4H3,(H2-,36,37,38,43,44)/t29-,31-,32-,35-/m0/s1
InChIKey LHMYNZVRUYEGJT-SQIDWUMKSA-N
Literature Reference Author S.M.GRAHAM,D.J.MACAYA,R.N.SENGUPTA,K.B.TURNER
Literature Reference Citation ORG.LETTERS,6,233(2004)
Literature Reference DOI 10.1021/ol036152r
Solvent CD3OD
Source File Reference UWSI34897